SCHEMBL23917529

SCHEMBL23917529

C=CCOc1ccc(-c2nn(C)c3ncnc(N)c23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.67
PIK3CA P42336 13/20 0.67
PIK3CB P42338 13/20 0.67
PIK3CG P48736 13/20 0.67
PRKDC P78527 13/20 0.67
NUDT14 O95848 1/20 0.65
NUDT5 Q9UKK9 1/20 0.65
SRC P12931 13/20 0.61
ABL1 P00519 11/20 0.61
EGFR P00533 12/20 0.60
HCK P08631 10/20 0.60
MTOR P42345 10/20 0.60
EPHB4 P54760 10/20 0.60
KDR P35968 9/20 0.60
PI4KB Q9UBF8 3/20 0.53
LCK P06239 2/20 0.49
JAK3 P52333 2/20 0.49
BTK Q06187 2/20 0.49
ITK Q08881 2/20 0.49
FGFR1 P11362 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL129862 0.85 SRC (0.80) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917276 0.83 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917472 0.83 SRC (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917551 0.82 SRC (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130752 0.82 NUDT14 (0.74) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130425 0.80 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12366 0.79 NUDT14 (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30782445 0.79 NUDT14 (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130644 0.79 NUDT14 (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130529 0.79 NUDT14 (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 6/4885PIK3CB 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.